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Substance Name: Ethanethiol, 2-((4-(2-cyclohexylethoxy)butyl)amino)-, hydrogen sulfate (ester)
RN: 21224-42-0
InChIKey: IIZBQGHRUCATJY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H29-N-O4-S2

Molecular Weight

  • 339.518
 
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Names and Synonyms

Synonyms

  • 2-((4-Cyclohexylethoxy)butylamino)ethanethiol hydrogen sulfate (ester)
  • BRN 1993654
  • S-2-(((4-Cyclohexylethoxy)butyl)amino)ethyl thiosulfate

Systematic Name

  • Ethanethiol, 2-((4-(2-cyclohexylethoxy)butyl)amino)-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 21224-42-0

System Generated Number

  • 0021224420

Structure Descriptors

InChI

1S/C14H29NO4S2/c16-21(17,18)20-13-10-15-9-4-5-11-19-12-8-14-6-2-1-3-7-14/h14-15H,1-13H2,(H,16,17,18)

InChIKey

IIZBQGHRUCATJY-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCCCOCCC1CCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 38mg/kg (38mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.